6-amino-4,7-dihydro-3-methyl-4-(4-(dimethylamino)phenyl)-1H-pyrazolo[3,4-b]pyridine

ID: ALA4293981

Chembl Id: CHEMBL4293981

PubChem CID: 145994202

Max Phase: Preclinical

Molecular Formula: C15H19N5

Molecular Weight: 269.35

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Cc1n[nH]c2c1C(c1ccc(N(C)C)cc1)C=C(N)N2

Standard InChI:  InChI=1S/C15H19N5/c1-9-14-12(8-13(16)17-15(14)19-18-9)10-4-6-11(7-5-10)20(2)3/h4-8,12H,16H2,1-3H3,(H2,17,18,19)

Standard InChI Key:  QKEDMJJIGFPTLO-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4293981

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 269.35

Molecular Weight (Monoisotopic): 269.1640

AlogP: 2.14

#Rotatable Bonds: 2

Polar Surface Area: 69.97

Molecular Species: NEUTRAL

HBA: 4

HBD: 3

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): 4

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 12.93

CX Basic pKa: 6.58

CX LogP: 1.64

CX LogD: 1.58

Aromatic Rings: 2

Heavy Atoms: 20

QED Weighted: 0.78

Np Likeness Score: -0.71

References

1. El-Gohary NS, Shaaban MI..  (2018)  New pyrazolopyridine analogs: Synthesis, antimicrobial, antiquorum-sensing and antitumor screening.,  152  [PMID:29702448] [10.1016/j.ejmech.2018.04.025]

Source

Source(1):

• Scientific Literature